7BJS
Crystal structure of Khc/atypical Tm1 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9797 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.770, 33.490, 126.000 |
Unit cell angles | 90.00, 94.58, 90.00 |
Refinement procedure
Resolution | 41.870 - 2.280 |
R-factor | 0.2307 |
Rwork | 0.228 |
R-free | 0.27810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Poly Ala triple helix |
Data reduction software | HKL-2000 |
Data scaling software | XSCALE |
Phasing software | Arcimboldo |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.870 | 41.870 | 2.340 |
High resolution limit [Å] | 2.280 | 10.190 | 2.280 |
Rmerge | 0.105 | 0.040 | 1.046 |
Rmeas | 0.125 | 0.048 | 1.269 |
Total number of observations | 71511 | ||
Number of reflections | 21116 | 223 | 1410 |
<I/σ(I)> | 6.7 | 19.24 | 0.99 |
Completeness [%] | 98.5 | 91 | 88.4 |
Redundancy | 3.387 | 3.336 | 2.969 |
CC(1/2) | 0.996 | 0.998 | 0.345 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaAc, 20% PEG 3350 |